methyl (2R)-2-amino-4-methyl-2-phenylpentanoate

C13H19NO2 — CID 142371197

IUPACmethyl (2R)-2-amino-4-methyl-2-phenylpentanoate
SMILESCOC(=O)[C@@](N)(CC(C)C)c1ccccc1
InChIInChI=1S/C13H19NO2/c1-10(2)9-13(14,12(15)16-3)11-7-5-4-6-8-11/h4-8,10H,9,14H2,1-3H3/t13-/m1/s1
InChIKeyICHSKMIKTBWHIN-CYBMUJFWSA-N
MW221.30 g/mol
LogP2.06
Rot. Bonds4

About methyl (2R)-2-amino-4-methyl-2-phenylpentanoate

methyl (2R)-2-amino-4-methyl-2-phenylpentanoate (PubChem CID 142371197) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is methyl (2R)-2-amino-4-methyl-2-phenylpentanoate.

Molecular Properties

Compound Namemethyl (2R)-2-amino-4-methyl-2-phenylpentanoate
PubChem CID142371197
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Namemethyl (2R)-2-amino-4-methyl-2-phenylpentanoate
SMILESCOC(=O)[C@@](N)(CC(C)C)c1ccccc1
InChIInChI=1S/C13H19NO2/c1-10(2)9-13(14,12(15)16-3)11-7-5-4-6-8-11/h4-8,10H,9,14H2,1-3H3/t13-/m1/s1
InChIKeyICHSKMIKTBWHIN-CYBMUJFWSA-N
XLogP2.06
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-amino-3-[2-methoxyethyl(propan-2-yl)amino]-2-phenylpropanoate
CID 82941864
methyl 2-amino-4-(3-hydroxy-2-methylpropyl)sulfanyl-2-phenylbutanoate
CID 116694763
methyl 2-amino-3-cyclobutyloxy-2-phenylpropanoate
CID 55041263
methyl 2-amino-4-(2-methylbutylsulfanyl)-2-phenylbutanoate
CID 107755976
methyl 2-amino-4-[ethyl(methyl)amino]-2-phenylbutanoate
CID 116693670
methyl 2-amino-2-phenyl-3-(3,3,3-trifluoropropoxy)propanoate
CID 82958729
bis(2-methylpropyl) 2-(2-methylpropyl)-2-phenylpropanedioate
CID 118088533
methyl 4-methyl-2-phenyl-2-(prop-2-ynylamino)pentanoate
CID 62365289
dimethyl 2-phenyl-2-propan-2-ylpropanedioate
CID 142728088
methyl (2R)-2-amino-2-phenylpropanoate;hydrochloride
CID 141027321
(2R)-2-amino-3-methoxy-3-oxo-2-phenylpropanoic acid
CID 66823925
methyl 2-amino-4-(2,5-dioxopyrrolidin-1-yl)-2-phenylbutanoate
CID 116694039

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-amino-4-methyl-2-phenylpentanoate?
The IUPAC name of methyl (2R)-2-amino-4-methyl-2-phenylpentanoate (CID 142371197) is methyl (2R)-2-amino-4-methyl-2-phenylpentanoate.
What is the SMILES notation for methyl (2R)-2-amino-4-methyl-2-phenylpentanoate?
The canonical SMILES for methyl (2R)-2-amino-4-methyl-2-phenylpentanoate is COC(=O)[C@@](N)(CC(C)C)c1ccccc1.
What is the InChIKey of methyl (2R)-2-amino-4-methyl-2-phenylpentanoate?
The InChIKey is ICHSKMIKTBWHIN-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H19NO2/c1-10(2)9-13(14,12(15)16-3)11-7-5-4-6-8-11/h4-8,10H,9,14H2,1-3H3/t13-/m1/s1.
What are the key properties of methyl (2R)-2-amino-4-methyl-2-phenylpentanoate?
methyl (2R)-2-amino-4-methyl-2-phenylpentanoate has a molecular weight of 221.30 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-amino-4-methyl-2-phenylpentanoate is sourced from PubChem (CID 142371197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).